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139144-23-3 | 3-Butynoic acid, 3-oxo-3-(2-propyn-1-yloxy)-1-propen-1-yl ester
CAS No: 139144-23-3 Catalog No: AG001ADX MDL No:
Product Description
Catalog Number:
AG001ADX
Chemical Name:
3-Butynoic acid, 3-oxo-3-(2-propyn-1-yloxy)-1-propen-1-yl ester
CAS Number:
139144-23-3
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
IUPAC Name:
(3-oxo-3-prop-2-ynoxyprop-1-enyl) but-3-ynoate
InChI:
InChI=1S/C10H8O4/c1-3-5-9(11)14-8-6-10(12)13-7-4-2/h1-2,6,8H,5,7H2
InChI Key:
XJEKLDLHNBKSEW-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)C=COC(=O)CC#C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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